(2R)-1-[4-(1-tert-butylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-2-ol

C16H26N6O — CID 133486326

IUPAC(2R)-1-[4-(1-tert-butylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-2-ol
SMILESC[C@@H](O)CN1CCN(c2ncnc3c2cnn3C(C)(C)C)CC1
InChIInChI=1S/C16H26N6O/c1-12(23)10-20-5-7-21(8-6-20)14-13-9-19-22(16(2,3)4)15(13)18-11-17-14/h9,11-12,23H,5-8,10H2,1-4H3/t12-/m1/s1
InChIKeyHWAHJBQWDGMOMS-GFCCVEGCSA-N
MW318.43 g/mol
LogP1.08
Rot. Bonds3

About (2R)-1-[4-(1-tert-butylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-2-ol

(2R)-1-[4-(1-tert-butylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-2-ol (PubChem CID 133486326) has the molecular formula C16H26N6O and a molecular weight of 318.43 g/mol. Its IUPAC name is (2R)-1-[4-(1-tert-butylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[4-(1-tert-butylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-2-ol
PubChem CID133486326
Molecular FormulaC16H26N6O
Molecular Weight318.43 g/mol
Exact Mass318.22
IUPAC Name(2R)-1-[4-(1-tert-butylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-2-ol
SMILESC[C@@H](O)CN1CCN(c2ncnc3c2cnn3C(C)(C)C)CC1
InChIInChI=1S/C16H26N6O/c1-12(23)10-20-5-7-21(8-6-20)14-13-9-19-22(16(2,3)4)15(13)18-11-17-14/h9,11-12,23H,5-8,10H2,1-4H3/t12-/m1/s1
InChIKeyHWAHJBQWDGMOMS-GFCCVEGCSA-N
XLogP1.08
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.43
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(1-tert-butylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-[4-(1-tert-butylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-2-ol (CID 133486326) is (2R)-1-[4-(1-tert-butylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-[4-(1-tert-butylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-[4-(1-tert-butylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-2-ol is C[C@@H](O)CN1CCN(c2ncnc3c2cnn3C(C)(C)C)CC1.
What is the InChIKey of (2R)-1-[4-(1-tert-butylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-2-ol?
The InChIKey is HWAHJBQWDGMOMS-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H26N6O/c1-12(23)10-20-5-7-21(8-6-20)14-13-9-19-22(16(2,3)4)15(13)18-11-17-14/h9,11-12,23H,5-8,10H2,1-4H3/t12-/m1/s1.
What are the key properties of (2R)-1-[4-(1-tert-butylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-2-ol?
(2R)-1-[4-(1-tert-butylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-2-ol has a molecular weight of 318.43 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(1-tert-butylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 133486326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).